2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine

C16H21F3N6 — CID 141423014

IUPAC2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N(C)C)n1
InChIInChI=1S/C16H21F3N6/c1-5-25(6-2)15-22-13(21-14(23-15)24(3)4)20-12-9-7-11(8-10-12)16(17,18)19/h7-10H,5-6H2,1-4H3,(H,20,21,22,23)
InChIKeyVZABMVWUCFBQAM-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.55
Rot. Bonds6

About 2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 141423014) has the molecular formula C16H21F3N6 and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID141423014
Molecular FormulaC16H21F3N6
Molecular Weight354.38 g/mol
Exact Mass354.18
IUPAC Name2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N(C)C)n1
InChIInChI=1S/C16H21F3N6/c1-5-25(6-2)15-22-13(21-14(23-15)24(3)4)20-12-9-7-11(8-10-12)16(17,18)19/h7-10H,5-6H2,1-4H3,(H,20,21,22,23)
InChIKeyVZABMVWUCFBQAM-UHFFFAOYSA-N
XLogP3.55
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 154659659
4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80760537
2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112901322
4-N-(4-fluorophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80737154
6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80760168
6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62868831
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80773692
6-ethoxy-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80758411
6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 80768818
4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
CID 11688636
2-N,6-N-diethyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80779800

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine (CID 141423014) is 2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VZABMVWUCFBQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6/c1-5-25(6-2)15-22-13(21-14(23-15)24(3)4)20-12-9-7-11(8-10-12)16(17,18)19/h7-10H,5-6H2,1-4H3,(H,20,21,22,23).
What are the key properties of 2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 354.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 141423014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).